| SpectraBase Compound ID | FtkvYENTqbN |
|---|---|
| InChI | InChI=1S/C22H17BrO6/c1-12(24)29-22-18(14-6-10-16(28-3)11-7-14)20(25)19(23)17(21(22)26)13-4-8-15(27-2)9-5-13/h4-11H,1-3H3 |
| InChIKey | MFOAUQZGRIYXSB-UHFFFAOYSA-N |
| Mol Weight | 457.28 g/mol |
| Molecular Formula | C22H17BrO6 |
| Exact Mass | 456.020851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPqJ6IzuJUk |
|---|---|
| Name | 5-Bromo-3,6-bis(4'-methoxyphenyl)-1,4-benzoquinon-2-yl acetate |
| Alternate Name(s) | 4-Bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl acetate Acetic acid[4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]ester Acetic acid[4-bromo-3,6-diketo-2,5-bis(4-methoxyphenyl)cyclohexa-1,4-dien-1-yl]ester [4-bromanyl-2,5-bis(4-methoxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanoate [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]acetate Acetic acid [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate [4-bromanyl-2,5-bis(4-methoxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H17BrO6 |
| InChI | InChI=1S/C22H17BrO6/c1-12(24)29-22-18(14-6-10-16(28-3)11-7-14)20(25)19(23)17(21(22)26)13-4-8-15(27-2)9-5-13/h4-11H,1-3H3 |
| InChIKey | MFOAUQZGRIYXSB-UHFFFAOYSA-N |
| Molecular Weight | 457.276 g/mol |
| SMILES | C1(=C(C(=O)C(=C(C1=O)c1ccc(cc1)OC)Br)c1ccc(cc1)OC)OC(=O)C |
| SPLASH | splash10-02ti-0005900000-74d0671d8134250edf19 |
| Source of Spectrum | B-51-1041-11 |
| Wiley ID | 745898 |